SCHEMBL6527201

SCHEMBL6527201

O=C(O)COc1ccc2c(c1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
ALOX15 P16050 1/20 1.00
HSD17B10 Q99714 1/20 1.00
RXRB P28702 4/20 0.64
RXRA P19793 3/20 0.64
RXRG P48443 3/20 0.64
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
MAPT P10636 6/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.54
KDM4E B2RXH2 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2729878 0.97 TSHR (0.93) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL12151250 0.85 ALOX15 (0.74) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL2729594 0.81 TSHR (0.69) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL7520647 0.81 ALOX15 (0.68) TSHRALOX15HSD17B10MAPTL3MBTL1
SCHEMBL7320294 0.80 TSHR (0.67) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL23321027 0.80 ALOX15 (0.66) TSHRALOX15HSD17B10PTPN7HRH3
SCHEMBL6295777 0.80 HSD17B10 (0.66) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL31396966 0.80 TSHR (0.66) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL11472768 0.80 TSHR (0.66) TSHRALOX15HSD17B10RXRBRXRA
SCHEMBL7527304 0.80 HSD17B10 (0.66) TSHRALOX15HSD17B10RXRBRXRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210200088-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2021-07-01 US disclosed
US-20210200087-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2021-07-01 US disclosed
US-20210200086-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2021-07-01 US disclosed
US-20210093619-A1 Chemical Compounds as ATF-4 Pathway Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-01 US disclosed
WO-2005122766-A1 FUNGICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210093619-A1 Chemical Compounds as ATF-4 Pathway Inhibitors ATF4, ATF1, XBP1 TSHR 3475/4885ALOX15 2546/4885HSD17B10 3225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.